trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide

C16H17FN2O3 — CID 146150011

IUPACtrans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCN1C(=O)CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H17FN2O3/c1-19-14(20)7-6-13(16(19)22)18-15(21)12-8-11(12)9-2-4-10(17)5-3-9/h2-5,11-13H,6-8H2,1H3,(H,18,21)/t11-,12+,13?/m0/s1
InChIKeyWIZLFVVCKHUMHR-LAGVYOHYSA-N
MW304.32 g/mol
LogP1.19
Rot. Bonds3

About trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 146150011) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
PubChem CID146150011
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCN1C(=O)CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H17FN2O3/c1-19-14(20)7-6-13(16(19)22)18-15(21)12-8-11(12)9-2-4-10(17)5-3-9/h2-5,11-13H,6-8H2,1H3,(H,18,21)/t11-,12+,13?/m0/s1
InChIKeyWIZLFVVCKHUMHR-LAGVYOHYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-methyl-2,6-dioxopiperidin-3-yl)oxolane-3-carboxamide
CID 66236911
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
4-ethyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)piperidine-2-carboxamide
CID 114429205
N-(1-methyl-2,6-dioxopiperidin-3-yl)thiomorpholine-3-carboxamide
CID 82915610
(3S,4R)-4-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 70035367
trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96522930
4-hydroxy-2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 107671606
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114372512
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide (CID 146150011) is trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide is CN1C(=O)CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1=O.
What is the InChIKey of trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is WIZLFVVCKHUMHR-LAGVYOHYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-19-14(20)7-6-13(16(19)22)18-15(21)12-8-11(12)9-2-4-10(17)5-3-9/h2-5,11-13H,6-8H2,1H3,(H,18,21)/t11-,12+,13?/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluorophenyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146150011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).